N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
[CAS# 11034-93-8]

Identification

• Name: N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
• Synonyms: Tetrahexosylceramide(j)
• Molecular Formula: C₆₉H₁₂₈N₂O₂₃
• Molecular Weight: 1353.75
• CAS Registry Number: 11034-93-8
• SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)C4O
• InChI: 1S/C69H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(78)71-47(48(77)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-87-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)65(56(80)50(42-73)89-69)94-66-54(70-46(3)76)57(81)55(79)49(41-72)88-66/h37,39,47-52,54-69,72-75,77,79-86H,4-36,38,40-45H2,1-3H3,(H,70,76)(H,71,78)/b39-37+/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57+,58+,59+,60?,61+,62+,63+,64-,65-,66-,67+,68-,69+/m0/s1
• InChIKey: BIDGDAHARPMCIU-LLSSOVTJSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 1330.396°C at 760 mmHg (Cal.)
• Flash point: 758.396°C (Cal.)
• Refractive index: 1.562 (Cal.)